N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine

C10H21N3 — CID 22926434

IUPACN'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine
SMILESC/C=C/NCCNCCN/C=C/C
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-6,11-13H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyYIDQCFSMUIALIN-GGWOSOGESA-N
MW183.30 g/mol
LogP0.82
Rot. Bonds8

About N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine

N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 22926434) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine
PubChem CID22926434
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine
SMILESC/C=C/NCCNCCN/C=C/C
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-6,11-13H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyYIDQCFSMUIALIN-GGWOSOGESA-N
XLogP0.82
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine (CID 22926434) is N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine is C/C=C/NCCNCCN/C=C/C.
What is the InChIKey of N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is YIDQCFSMUIALIN-GGWOSOGESA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-6,11-13H,7-10H2,1-2H3/b5-3+,6-4+.
What are the key properties of N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine?
N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 22926434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).